4-[[3-(7-imidazol-1-ylheptanoyl)-1,3-thiazolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 4-[[3-(7-imidazol-1-ylheptanoyl)-1,3-thiazolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[[3-(7-imidazol-1-ylheptanoyl)thiazolidin-2-yl]methoxy]benzoic acid CAS Name: 4-[[3-[7-(1-imidazolyl)-1-oxoheptyl]-2-thiazolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[3-(7-imidazol-1-ylheptanoyl)-1,3-thiazolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[[3-(7-imidazol-1-ylheptanoyl)thiazolidin-2-yl]methoxy]benzoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1C(=O)CCCCCCN2C=CN=C2)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CSC(N1C(=O)CCCCCCN2C=CN=C2)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H27N3O4S/c25-19(5-3-1-2-4-11-23-12-10-22-16-23)24-13-14-29-20(24)15-28-18-8-6-17(7-9-18)21(26)27/h6-10,12,16,20H,1-5,11,13-15H2,(H,26,27)